5-[(5-methyl-2-propan-2-yl-phenoxy)methyl]-3-(piperidin-1-ium-1-ylmethyl)-1,3,4-oxadiazole-2-thione

Systemtic Name: 5-[(5-methyl-2-propan-2-yl-phenoxy)methyl]-3-(piperidin-1-ium-1-ylmethyl)-1,3,4-oxadiazole-2-thione Openeye Name: 5-[(2-isopropyl-5-methyl-phenoxy)methyl]-3-(piperidin-1-ium-1-ylmethyl)-1,3,4-oxadiazole-2-thione CAS Name: 5-[(5-methyl-2-propan-2-ylphenoxy)methyl]-3-(1-piperidin-1-iumylmethyl)-1,3,4-oxadiazole-2-thione IUPAC Name: 5-[(5-methyl-2-propan-2-ylphenoxy)methyl]-3-(piperidin-1-ium-1-ylmethyl)-1,3,4-oxadiazole-2-thione Traditional Name: 5-[(2-isopropyl-5-methyl-phenoxy)methyl]-3-(piperidin-1-ium-1-ylmethyl)-1,3,4-oxadiazole-2-thione Formula: C19H28N3O2S+ MolecularWeight: 362.50952

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C)C)OCC2=NN(C(=S)O2)C[NH+]3CCCCC3

Isomeric SMILES

CC1=CC(=C(C=C1)C(C)C)OCC2=NN(C(=S)O2)C[NH+]3CCCCC3

InChI

InChI=1S/C19H27N3O2S/c1-14(2)16-8-7-15(3)11-17(16)23-12-18-20-22(19(25)24-18)13-21-9-5-4-6-10-21/h7-8,11,14H,4-6,9-10,12-13H2,1-3H3/p+1